Tris(4-fluorophenyl)phosphine

• CAS: 18437-78-0
• Catalog Number: ACM18437780-2
• Category: Other Products
• Molecular Weight: 316.26
• Molecular Formula: C18H12F3P
• Synonyms: Phosphine, Tris(4-Fluorophenyl)-
• IUPAC Name: tris(4-fluorophenyl)phosphane
• Canonical SMILES: C1=CC(=CC=C1F)P(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
• InChI: InChI=1S/C18H12F3P/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H
• InChI Key: GEPJPYNDFSOARB-UHFFFAOYSA-N
• Appearance: Grey white solid
• Complexity: 275
• Covalently-Bonded Unit Count: 1
• Exact Mass: 316.063g/mol
• H-Bond Acceptor: 3
• Heavy Atom Count: 22
• Monoisotopic Mass: 316.063g/mol
• NSC Number: 158458
• Rotatable Bond Count: 3
• Topological Polar Surface Area: 0A^2

Custom Q&A

What is the molecular formula of Tris(4-fluorophenyl)phosphine?

The molecular formula of Tris(4-fluorophenyl)phosphine is C18H12F3P.

When was Tris(4-fluorophenyl)phosphine created in PubChem?

Tris(4-fluorophenyl)phosphine was created in PubChem on March 26, 2005.

What is the molecular weight of Tris(4-fluorophenyl)phosphine?

The molecular weight of Tris(4-fluorophenyl)phosphine is 316.3 g/mol.

What is the InChIKey of Tris(4-fluorophenyl)phosphine?

The InChIKey of Tris(4-fluorophenyl)phosphine is GEPJPYNDFSOARB-UHFFFAOYSA-N.

How many hydrogen bond acceptors does Tris(4-fluorophenyl)phosphine have?

Tris(4-fluorophenyl)phosphine has 3 hydrogen bond acceptors.

What is the topological polar surface area of Tris(4-fluorophenyl)phosphine?

The topological polar surface area of Tris(4-fluorophenyl)phosphine is 0-2.

How many rotatable bonds does Tris(4-fluorophenyl)phosphine have?

Tris(4-fluorophenyl)phosphine has 3 rotatable bonds.

Is Tris(4-fluorophenyl)phosphine considered to be a canonical compound?

Yes, Tris(4-fluorophenyl)phosphine is considered to be a canonical compound.

What is the XLogP3-AA value of Tris(4-fluorophenyl)phosphine?

The XLogP3-AA value of Tris(4-fluorophenyl)phosphine is 4.9.

How many heavy atoms are present in a molecule of Tris(4-fluorophenyl)phosphine?

There are 22 heavy atoms present in a molecule of Tris(4-fluorophenyl)phosphine.

Synthetic Use

Upstream Synthesis Route 1

• 18437-79-1

• 18437-78-0

Reference: [1] Angewandte Chemie - International Edition, 2017, vol. 56, # 50, p. 15989 - 15992[2] Angew. Chem., 2017, vol. 129, # 50, p. 16205 - 16208,4
[3] ChemCatChem, 2015, vol. 7, # 8, p. 1292 - 1301
[4] Angewandte Chemie - International Edition, 2018, vol. 57, # 46, p. 15253 - 15256[5] Angew. Chem., 2018, vol. 130, # 46, p. 15473 - 15476,4

Upstream Synthesis Route 2

• 460-00-4

• 18437-78-0

Reference: [1] Canadian Journal of Chemistry, 1982, vol. 60, p. 716 - 722
[2] Organic Letters, 2017, vol. 19, # 19, p. 5434 - 5437

Upstream Synthesis Route 3

• 119821-89-5

• 119943-03-2
• 18437-78-0

Reference: [1] Polyhedron, [2] Polyhedron, 1989, vol. 8, p. 167 - 174

Downstream Synthesis Route 1

• 1295-35-8
• 21230-92-2
• 18437-78-0

• 62816-21-1
• 209798-27-6

Reference: [1]New Journal of Chemistry,1998,vol. 22,p. 467 - 472

Downstream Synthesis Route 2

• 52462-29-0
• 18437-78-0

• 169829-75-8

Reference: [1]Renfrew, Anna K.; Scopelliti, Rosario; Dyson, Paul J.
[Inorganic Chemistry, 2010, vol. 49, # 5, p. 2239 - 2246]
[2]Lee, John P.; Hankins, Michael J.; Riner, Ashley D.; Albu, Titus V.
[Journal of Coordination Chemistry, 2016, vol. 69, # 1, p. 20 - 38]
[3]Serron, Scafford A.; Nolan, Steven P.
[Organometallics, 1995, vol. 14, # 10, p. 4611 - 4616]
[4]Irran, Elisabeth; Klare, Hendrik F. T.; Oberling, Marvin; Oestreich, Martin; Ohki, Yasuhiro
[Organometallics, 2020, vol. 39, # 24, p. 4747 - 4753]

Downstream Synthesis Route 3

• 92390-26-6
• 18437-78-0

• 172220-65-4

Reference: [1]Organometallics,1995,vol. 14,p. 5290 - 5297
[2]Organometallics,1995,vol. 14,p. 5290 - 5297

* For details of the synthesis route, please refer to the original source to ensure accuracy.